Hi,
Yes, I have put them in quotes but still, it does not work.
!method=‘B3LYP’,
!basis=‘6-31G**’,
I cannot get what do you mean by illegal number, this is the gaussian version which I am trying to call for the calculation
gaussian/09.e.01
________________________________
From: David A Case <david.case.rutgers.edu>
Sent: Friday, January 5, 2018 9:04:18 AM
To: AMBER Mailing List
Subject: Re: [AMBER] qm2_extern_gau_module
On Fri, Jan 05, 2018, Thakur, Abhishek wrote:
> gms_version=09.e.01,
^^^^^^^^^
This is an illegal number. Make it legal and see if that helps. If it is
supposed to be a string, are you sure you put quotes around it?
....dac
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Received on Fri Jan 05 2018 - 12:30:04 PST
